CID 5357261

2,2-dimethyl-3-hexene

Structural Information

Molecular Formula
C8H16
SMILES
CC/C=C/C(C)(C)C
InChI
InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKey
JPLZSSHKQZJYTJ-VOTSOKGWSA-N
Compound name
(E)-2,2-dimethylhex-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

736
Patents

112.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.132476 125.8
[M+Na]+ 135.114418 133.3
[M-H]- 111.117924 126.4
[M+NH4]+ 130.159023 149.3
[M+K]+ 151.088358 132.5
[M+H-H2O]+ 95.122460 122.4
[M+HCOO]- 157.123401 147.8
[M+CH3COO]- 171.139051 171.5
[M+Na-2H]- 133.099866 132.7
[M]+ 112.12465142 126.7
[M]- 112.12574858 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe